| Properties | Image |
|---|
| MNX_ID | MNXM1121455 |
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| reference | chebi:158843 |
| formula | C28H33N5O4 |
| global charge | 0 |
| mol weight | 503.603 |
| InChIKey | XDVKZSJODLMNLJ-GGQYPGDFSA-N |
| InChI | InChI=1S/C28H33N5O4/c1-3-16(2)25(29)27(35)32-23(12-17-14-30-21-10-6-4-8-19(17)21)26(34)33-24(28(36)37)13-18-15-31-22-11-7-5-9-20(18)22/h4-11,14-16,23-25,30-31H,3,12-13,29H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)/t16-,23-,24-,25-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C28H33N5O4/c1-3-16(2)25(29)27(35)32-23(12-17-14-30-21-10-6-4-8-19(17)21)26(34)33-24(28(36)37)13-18-15-31-22-11-7-5-9-20(18)22/h4-11,14-16,23-25,30-31H,3,12-13,29H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)/t16-,23-,24-,25-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][C@H:16]([CH3:2])[C@@H:25]([C:27](=[N:32][C@@H:23]([CH2:12][C:17]1=[CH:14][NH:30][C:21]2=[CH:10][CH:6]=[CH:4][CH:8]=[C:19]12)[C:26](=[N:33][C@@H:24]([CH2:13][C:18]1=[CH:15][NH:31][C:22]2=[CH:11][CH:7]=[CH:5][CH:9]=[C:20]12)[C:28](=[O:36])[OH:37])[OH:34])[OH:35])[NH2:29] |
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